4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

C13H17N5O — CID 81053967

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(-n2nc(C)cc2C)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C13H17N5O/c1-7-6-11(18-9(3)5-8(2)16-18)12(10(4)15-7)13(14)17-19/h5-6,19H,1-4H3,(H2,14,17)
InChIKeyXUTXDMPPLYPIQG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.60
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide

4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81053967) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81053967
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(-n2nc(C)cc2C)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C13H17N5O/c1-7-6-11(18-9(3)5-8(2)16-18)12(10(4)15-7)13(14)17-19/h5-6,19H,1-4H3,(H2,14,17)
InChIKeyXUTXDMPPLYPIQG-UHFFFAOYSA-N
XLogP1.60
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide (CID 81053967) is 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(-n2nc(C)cc2C)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is XUTXDMPPLYPIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-7-6-11(18-9(3)5-8(2)16-18)12(10(4)15-7)13(14)17-19/h5-6,19H,1-4H3,(H2,14,17).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide?
4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81053967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).